Geometry & MOs

Info

ID:	135619
PubChem CID:	51903199
Reduced:	O2N3C24H39 (1)
Stoich.:	A2B3C24D39 (1)
Weight, g/mol:	347.199762
ΔH_f, kcal/mol:	-83.8
Dipole, Da:	5.51
IP(EA), eV:	-7.9(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCC(CC2)N3CCN([C@@H](C3)CCO)C4CCCCC4

DOS

IR

Vibrations